Didanosine

C₁₀H₁₂N₄O₃ — CID 135398739

About Didanosine

Didanosine (PubChem CID 135398739) has the molecular formula C₁₀H₁₂N₄O₃ and a molecular weight of 236.23 g/mol. Its IUPAC name is 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one.

Molecular Properties

• Compound Name: Didanosine
• PubChem CID: 135398739
• Molecular Formula: C₁₀H₁₂N₄O₃
• Molecular Weight: 236.23 g/mol
• Exact Mass: 236.09
• IUPAC Name: 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
• SMILES: O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO)O1
• InChI: InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1
• InChIKey: BXZVVICBKDXVGW-NKWVEPMBSA-N
• XLogP: -0.21
• TPSA: 93.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	236.23
LogP ≤ 5	-0.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Didanosine?

The IUPAC name of Didanosine (CID 135398739) is 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one.

What is the SMILES notation for Didanosine?

The canonical SMILES for Didanosine is O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO)O1.

What is the InChIKey of Didanosine?

The InChIKey is BXZVVICBKDXVGW-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1.

What are the key properties of Didanosine?

Didanosine has a molecular weight of 236.23 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Didanosine is sourced from PubChem (CID 135398739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135398739 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 869 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.